BioLiP

PDB

BioLiP

PDB CCD ID:

Y39

Number of entries in BioLiP:

Chemical formula:

C13 H24 O2

InChI:

InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-11-10-12(11)13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/t11-,12-/m0/s1

InChIKey:

GVGYASDUOPEXET-RYUDHWBXSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCC[C@H]1C[C@@H]1C(O)=O
OpenEye OEToolkits 1.9.2	CCCCCCCCC[C@H]1C[C@@H]1C(=O)O
OpenEye OEToolkits 1.9.2	CCCCCCCCCC1CC1C(=O)O
CACTVS 3.385	CCCCCCCCC[CH]1C[CH]1C(O)=O
ACDLabs 12.01	O=C(O)C1CC1CCCCCCCCC

Name:

(1S,2S)-2-nonylcyclopropanecarboxylic acid

ZINC:

ZINC000060025617

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).